SCHEMBL238448

SCHEMBL238448

COc1cc(I)c(C(=O)N(c2ccnc3cc4c(cc23)OCO4)C(C)N(C)C)cc1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.37
HTT P42858 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ABCG2 Q9UNQ0 1/20 0.33
PKM P14618 1/20 0.33
KDR P35968 2/20 0.33
LCK P06239 1/20 0.33
MET P08581 1/20 0.33
SRC P12931 2/20 0.32
TGFBR1 P36897 2/20 0.32
MPO P05164 1/20 0.32
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
AXL P30530 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL242600 0.90 ALDH1A1 (0.36) ALDH1A1LMNAHTTNPSR1ABCG2
SCHEMBL5875891 0.85 GABRA1 (0.36) ALDH1A1LMNAHTTNPSR1PKM
SCHEMBL13993580 0.83 ALDH1A1 (0.39) ALDH1A1LMNAHTTNPSR1ABCG2
SCHEMBL238449 0.82 HTR2C (0.41) ALDH1A1LMNAHTTNPSR1KDM4E
SCHEMBL240763 0.81 KMT2A (0.42) ALDH1A1LMNAHTTNPSR1SMN1; SMN2
SCHEMBL4986665 0.80 GABRA1 (0.40) ALDH1A1LMNAHTTNPSR1PKM
SCHEMBL239478 0.79 KMT2A (0.43) ALDH1A1LMNAHTTNPSR1NPC1
SCHEMBL243661 0.77 EHMT2 (0.42) METRAB9ATDP1
SCHEMBL528341 0.77 ALDH1A1 (0.32) ALDH1A1LMNAHTTNPSR1PKM
SCHEMBL5875809 0.77 MAPT (0.36) ALDH1A1LMNAHTTPKMNPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389721-B2 Solubilized topoisomerase poisons RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-03-05 US disclosed
WO-2012015875-A1 METHODS FOR TREATING HEMATOLOGICAL MALIGNANCIES GENZYME CORPORATION (US) 2012-02-02 WO disclosed
WO-2012015901-A1 METHODS FOR TREATING GASTRIC AND PANCREATIC MALIGNANCIES GENZYME CORPORATION (US) 2012-02-02 WO disclosed
US-20120004235-A1 METHODS TO TREAT CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-01-05 US disclosed
US-20110136812-A1 SOLUBILIZED TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-06-09 US disclosed
EP-2286812-A1 Solubilized topoisomerase poisons Rutgers, The State University (US) 2011-02-23 EP disclosed
US-7781587-B2 antitumor; breast cancer; 8,9-Dimethoxy-2,3-methylenedioxy-5-[2-(N,N-dimethylamino)ethyl]-5H-dibenzo[c,h]1,6-naphthyridin-6-one RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-08-24 US disclosed
WO-2010088544-A1 METHODS TO TREAT CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-08-05 WO disclosed
EP-2196205-A1 Topoisomerase poisons Rutgers, The State University (US) 2010-06-16 EP disclosed
EP-1465625-B1 SOLUBILIZED TOPOISOMERASE POISONS UNIV RUTGERS (US) 2010-02-03 EP disclosed
US-20090239871-A1 SOLUBILIZED TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2009-09-24 US disclosed
US-7517883-B2 Solubilized topoisomerase poisons RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2009-04-14 US disclosed
US-7049315-B2 Solubilized topoisomerase poisons RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2006-05-23 US disclosed
US-20060052381-A1 Solubilized topoisomerase poisons LAVOIE EDMOND J 2006-03-09 US disclosed
EP-1465625-A4 SOLUBILIZED TOPOISOMERASE POISONS UNIV RUTGERS (US) 2005-06-08 EP disclosed
US-20050009824-A1 Solubilized topoisomerase poisons RUTGERS, STATE UNIVERSITY OF NEW JERSEY, THE 2005-01-13 US disclosed
EP-1465625-A2 SOLUBILIZED TOPOISOMERASE POISONS Rutgers, The State University (US) 2004-10-13 EP disclosed
WO-2003041660-A2 SOLUBILIZED TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY (US) 2003-05-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050009824-A1 Solubilized topoisomerase poisons TOP1, TOP2A, TOP2B ALDH1A1 3459/4885LMNA 128/4885HTT 4124/4885
US-20090239871-A1 SOLUBILIZED TOPOISOMERASE POISONS TOP1, TOP2A, TOP2B ALDH1A1 3459/4885LMNA 128/4885HTT 4124/4885
US-20120004235-A1 METHODS TO TREAT CANCER TP53, CCNY, ABCB1 ALDH1A1 115/4885LMNA 1475/4885HTT 4115/4885
US-20110136812-A1 SOLUBILIZED TOPOISOMERASE POISONS TOP1, TOP2A, TOP2B ALDH1A1 3459/4885LMNA 128/4885HTT 4124/4885
US-20060052381-A1 Solubilized topoisomerase poisons TOP1, TOP2A, TOP2B ALDH1A1 3459/4885LMNA 128/4885HTT 4124/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.